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1S7C
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BU of 1s7c by Molmil
Crystal structure of MES buffer bound form of glyceraldehyde 3-phosphate dehydrogenase from Escherichia coli
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glyceraldehyde 3-phosphate dehydrogenase A, SULFATE ION
著者Shin, D.H, Thor, J, Yokota, H, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
登録日2004-01-29
公開日2004-08-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystal structure of MES buffer bound form of glyceraldehyde 3-phosphate dehydrogenase from Escherichia coli
To be Published
4X8C
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BU of 4x8c by Molmil
Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147
分子名称: CALCIUM ION, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone
著者Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J.
登録日2014-12-10
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.
Nat.Chem.Biol., 11, 2015
4X8G
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BU of 4x8g by Molmil
Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK199
分子名称: CALCIUM ION, Protein-arginine deiminase type-4, [(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone
著者Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J.
登録日2014-12-10
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.
Nat.Chem.Biol., 11, 2015
1K7J
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BU of 1k7j by Molmil
Structural Genomics, protein TF1
分子名称: Protein yciO, SULFATE ION
著者Zhang, R, Dementieva, I, Thorn, J, Donnelly, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2001-10-19
公開日2002-08-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Genomics, protein TF1
To be Published
1FPW
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BU of 1fpw by Molmil
STRUCTURE OF YEAST FREQUENIN
分子名称: CALCIUM ION, CALCIUM-BINDING PROTEIN NCS-1
著者Ames, J.B, Hendricks, K.B, Strahl, T, Huttner, I.G, Thorner, J.
登録日2000-08-31
公開日2000-10-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and calcium-binding properties of Frq1, a novel calcium sensor in the yeast Saccharomyces cerevisiae.
Biochemistry, 39, 2000
8AM4
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BU of 8am4 by Molmil
Cl-rsEGFP2 Long Wavelength Structure
分子名称: Green fluorescent protein
著者Orr, C.M, Fadini, A, van Thor, J.
登録日2022-08-02
公開日2023-08-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 2023
2KX6
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BU of 2kx6 by Molmil
Signaling state of Photoactive Yellow Protein
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Ramachandran, P.L, Lovett, J.E, Carl, P.J, Cammarata, M, Lee, J.H, Yang, J.O, Ihee, H, Timmel, C.R, van Thor, J.
登録日2010-04-27
公開日2011-06-15
最終更新日2012-07-18
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献The short-lived signaling state of the photoactive yellow protein photoreceptor revealed by combined structural probes.
J.Am.Chem.Soc., 133, 2011
8A83
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BU of 8a83 by Molmil
rsEGFP2 with a chlorinated chromophore in the fluorescent ON-state in a crystal dehydrated after illumination
分子名称: Green fluorescent protein, SULFATE ION
著者Fadini, A, van Thor, J, Chang, J.
登録日2022-06-21
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6R
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BU of 8a6r by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 100 ps after Photoexcitation
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-18
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6O
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BU of 8a6o by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 600 fs after Photoexcitation
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-18
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6S
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BU of 8a6s by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 1 microsecond after Photoexcitation
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-19
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6G
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BU of 8a6g by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore in the non-fluorescent OFF-state
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-17
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6N
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BU of 8a6n by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 300 fs after Photoexcitation
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-18
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6P
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BU of 8a6p by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 900 fs after photoexcitation
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-18
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6Q
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BU of 8a6q by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 5 ps after photoexcitation
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-18
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A7V
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BU of 8a7v by Molmil
Room temperature rsEGFP2 in its OFF-state obtained with SFX
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-21
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
7A16
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CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2229238A (COMPOUND 43)
分子名称: 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
6ZVL
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BU of 6zvl by Molmil
ARUK3000263 complex with Notum
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one, ...
著者Zhao, Y, Ruza, R.
登録日2020-07-24
公開日2020-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献5-Phenyl-1,3,4-oxadiazol-2(3 H )-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
J.Med.Chem., 63, 2020
7A15
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CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2224863A (COMPOUND 42)
分子名称: 5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
7A13
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CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK1978537A (COMPOUND 27)
分子名称: 5-chloranyl-3-(3-methoxyphenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
6ZUV
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BU of 6zuv by Molmil
Notum fragment 286
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-07-23
公開日2020-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献5-Phenyl-1,3,4-oxadiazol-2(3 H )-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
J.Med.Chem., 63, 2020
1VDE
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BU of 1vde by Molmil
PI-SCEI, A HOMING ENDONUCLEASE WITH PROTEIN SPLICING ACTIVITY
分子名称: PI-SCEI
著者Duan, X, Quiocho, F.A.
登録日1997-04-01
公開日1998-04-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of PI-SceI, a homing endonuclease with protein splicing activity.
Cell(Cambridge,Mass.), 89, 1997
7PK3
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BU of 7pk3 by Molmil
Notum_ARUK3001185
分子名称: 1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Vecchia, L, Hillier, J, Zhao, Y, Fish, P, Jones, E.Y.
登録日2021-08-25
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
J.Med.Chem., 65, 2022
7A14
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CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2218325A (COMPOUND 32)
分子名称: 5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
7A12
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CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GW557358X (COMPOUND 9)
分子名称: 5-chloranyl-3-phenyl-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020

 

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